N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine

C14H20BrN — CID 43215546

IUPACN-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
SMILESBrc1cccc(CNCC2CCCCC2)c1
InChIInChI=1S/C14H20BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h4,7-9,12,16H,1-3,5-6,10-11H2
InChIKeyDSGCLZIXITUTHI-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.12
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine

N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine (PubChem CID 43215546) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
PubChem CID43215546
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
SMILESBrc1cccc(CNCC2CCCCC2)c1
InChIInChI=1S/C14H20BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h4,7-9,12,16H,1-3,5-6,10-11H2
InChIKeyDSGCLZIXITUTHI-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214133
N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223764
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
CID 68520941
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine (CID 43215546) is N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine is Brc1cccc(CNCC2CCCCC2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine?
The InChIKey is DSGCLZIXITUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h4,7-9,12,16H,1-3,5-6,10-11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine?
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 43215546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).